Hydrochloric Acid → 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-4-(3-methoxy-azetidine-1-carbonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

HRID 1571700

반응식

HRID 1571700 반응식
[CH3:38][O:39][CH:40]1[CH2:41][NH:42][CH2:43]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[c:14]([C:25]([NH:26][CH:27]4[CH2:28][CH2:29][N:30]([CH:33]([CH3:34])[CH3:35])[CH2:31][CH2:32]4)=[O:36])[n:15][c:16]4[c:17]3[cH:18][cH:19][cH:20][c:21]4[C:22](=[O:23])[OH:24])[n:10][o:11]2)[s:6]1.[ClH:37]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[c:14]([C:25]([NH:26][CH:27]4[CH2:28][CH2:29][N:30]([CH:33]([CH3:34])[CH3:35])[CH2:31][CH2:32]4)=[O:36])[n:15][c:16]4[c:17]3[cH:18][cH:19][cH:20][c:21]4[C:22](=[O:23])[N:42]3[CH2:41][CH:40]([O:39][CH3:38])[CH2:43]3)[n:10][o:11]2)[s:6]1

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 112378401-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acidHCID 134019963-Methoxyazetidine

생성물 1

HCID 865958751-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-4-(3-methoxy-azetidine-1-carbonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

출처 및 근거

ORD 기록
ord-6307aacbc1d14677bf4aed3adfe77848
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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